CID 135459771

2-amino-9-[(3s,5s)-5-(hydroxymethyl)-4-methylene-tetrahydrofuran-3-yl]-1h-purin-6-one

Structural Information

Molecular Formula
C11H13N5O3
SMILES
C=C1[C@@H](CO[C@@H]1CO)N2C=NC3=C2N=C(NC3=O)N
InChI
InChI=1S/C11H13N5O3/c1-5-6(3-19-7(5)2-17)16-4-13-8-9(16)14-11(12)15-10(8)18/h4,6-7,17H,1-3H2,(H3,12,14,15,18)/t6-,7-/m1/s1
InChIKey
LIOLZLHYFFGYRG-RNFRBKRXSA-N
Compound name
2-amino-9-[(3S,5S)-5-(hydroxymethyl)-4-methylideneoxolan-3-yl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

263.10184 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.10912 158.5
[M+Na]+ 286.09106 169.6
[M-H]- 262.09456 160.4
[M+NH4]+ 281.13566 171.7
[M+K]+ 302.06500 165.1
[M+H-H2O]+ 246.09910 150.7
[M+HCOO]- 308.10004 175.8
[M+CH3COO]- 322.11569 169.8
[M+Na-2H]- 284.07651 159.8
[M]+ 263.10129 157.9
[M]- 263.10239 157.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.